methyl 2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate

Systemtic Name: methyl 2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: methyl 2-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: 2-[4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidin-5-yl]acrylic acid methyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=C)C(=O)OC)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=C)C(=O)OC)SC)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-10(16(22)24-3)12-9-20-17(25-4)21-15(12)19-8-11-5-6-14(23-2)13(18)7-11/h5-7,9H,1,8H2,2-4H3,(H,19,20,21)